2-(cyclopentylmethyl)-6-methyl-5-[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 766488
• Molecular Formular: C21H24N6O
• Molecular Mass: 376.45486
• Monoisotopic Mass: 376.20115942
• SMILES: c1(nc(on1)c1nccnc1)c1c2c(CN(CC2)CC2CCCC2)cnc1C
• Canonical SMILES: Cc1ncc2c(c1c1noc(n1)c1cnccn1)CCN(C2)CC1CCCC1
• InChI: InChI=1S/C21H24N6O/c1-14-19(20-25-21(28-26-20)18-11-22-7-8-23-18)17-6-9-27(13-16(17)10-24-14)12-15-4-2-3-5-15/h7-8,10-11,15H,2-6,9,12-13H2,1H3
• InChIKey: UNNLVQMPJCKBKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentylmethyl)-6-methyl-5-[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 2-(cyclopentylmethyl)-6-methyl-5-[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridine
• Synonyms: 2-(cyclopentylmethyl)-6-methyl-5-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.23246376
• LogD (pH = 7.4): 1.5622156
• Log P: 2.6446643
• Molar Refractivity: 127.9319 cm^3
• Polarizability: 41.65455 Å^3
• Polar Surface Area: 80.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.51
• LOG S: -3.08
• Polar Surface Area: 80.83 Å^2
• Rotatable Bonds: 4